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Home > Other Heterocycles > 1871659-82-3
1871659-82-3 | 4-methyl-1,5-dioxaspiro[2.4]heptane-2-carbonitrile
CAS No: 1871659-82-3 Catalog No: AG01C6UH MDL No:MFCD31432443
Product Description
Catalog Number:
AG01C6UH
Chemical Name:
4-methyl-1,5-dioxaspiro[2.4]heptane-2-carbonitrile
CAS Number:
1871659-82-3
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD31432443
IUPAC Name:
7-methyl-1,6-dioxaspiro[2.4]heptane-2-carbonitrile
InChI:
InChI=1S/C7H9NO2/c1-5-7(2-3-9-5)6(4-8)10-7/h5-6H,2-3H2,1H3
InChI Key:
AHDNDGDHYJEBHB-UHFFFAOYSA-N
SMILES:
CC1OCCC21OC2C#N
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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